[(4S)-2,5-dimethyl-4-phenyl-hexan-3-yl] 4-nitrobenzoate

Systemtic Name: [(4S)-2,5-dimethyl-4-phenyl-hexan-3-yl] 4-nitrobenzoate Openeye Name: [(2S)-1-isopropyl-3-methyl-2-phenyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S)-2,5-dimethyl-4-phenylhexan-3-yl] ester IUPAC Name: [(4S)-2,5-dimethyl-4-phenylhexan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-1-isopropyl-3-methyl-2-phenyl-butyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)C(C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C1=CC=CC=C1)C(C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO4/c1-14(2)19(16-8-6-5-7-9-16)20(15(3)4)26-21(23)17-10-12-18(13-11-17)22(24)25/h5-15,19-20H,1-4H3/t19-,20?/m0/s1